4-(Aminomethyl)benzeneboronic acid hydrochloride
TL;DR: 4-(Aminomethyl)benzeneboronic acid hydrochloride (CAS 80460-73-7) is a chemical compound with molecular formula C7H11BClNO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(aminomethyl)phenyl]boronic acid;hydrochloride
Also Known As: 4-Aminomethylphenylboronic acid hydrochloride, 4-(aminomethyl)phenylboronic acid hydrochloride, 4-aminomethylphenylboronic acid hcl, 2,3,6-Trifluoroaniline, 4-aminomethylphenylboronic acid, hcl
| Molecular Formula | C7H11BClNO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | -0.7531 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.05713 |
| Heavy Atoms | 12 |
| Complexity | 227.35292 |
Chemical Identifiers
| CAS Number | 80460-73-7 |
|---|---|
| SMILES | B(C1=CC=C(C=C1)CN)(O)O.Cl |
Product Overview
4-(Aminomethyl)benzeneboronic acid hydrochloride (CAS 80460-73-7), with molecular formula C7H11BClNO2 and molecular weight 187.06 g/mol. IUPAC: [4-(aminomethyl)phenyl]boronic acid;hydrochloride.
Chemical Property Profile of 4-(Aminomethyl)benzeneboronic acid hydrochloride
Property Insights of 4-(Aminomethyl)benzeneboronic acid hydrochloride
The XLogP value of -0.7531 indicates that 4-(Aminomethyl)benzeneboronic acid hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Aminomethyl)benzeneboronic acid hydrochloride. Following Lipinski's Rule of Five, 4-(Aminomethyl)benzeneboronic acid hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Aminomethyl)benzeneboronic acid hydrochloride?
The CAS number of 4-(Aminomethyl)benzeneboronic acid hydrochloride is 80460-73-7.
What is the molecular formula of 4-(Aminomethyl)benzeneboronic acid hydrochloride?
The molecular formula of 4-(Aminomethyl)benzeneboronic acid hydrochloride is C7H11BClNO2.
What is the molecular weight of 4-(Aminomethyl)benzeneboronic acid hydrochloride?
The molecular weight of 4-(Aminomethyl)benzeneboronic acid hydrochloride is 187.06 g/mol.
Where can I buy 4-(Aminomethyl)benzeneboronic acid hydrochloride?
You can request a quote for 4-(Aminomethyl)benzeneboronic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Aminomethyl)benzeneboronic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Aminomethyl)benzeneboronic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.